CID 6455213

Benzene, 1-(2-(2-chloroethoxy)ethoxy)-2-methyl-4-(1,1,3,3-tetramethylbutyl)-

Structural Information

Molecular Formula
C19H31ClO2
SMILES
CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)OCCOCCCl
InChI
InChI=1S/C19H31ClO2/c1-15-13-16(19(5,6)14-18(2,3)4)7-8-17(15)22-12-11-21-10-9-20/h7-8,13H,9-12,14H2,1-6H3
InChIKey
ANJNNGCPSIRLMC-UHFFFAOYSA-N
Compound name
1-[2-(2-chloroethoxy)ethoxy]-2-methyl-4-(2,4,4-trimethylpentan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

326.20126 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.20854 181.6
[M+Na]+ 349.19048 188.3
[M-H]- 325.19398 184.7
[M+NH4]+ 344.23508 197.5
[M+K]+ 365.16442 184.0
[M+H-H2O]+ 309.19852 176.1
[M+HCOO]- 371.19946 195.6
[M+CH3COO]- 385.21511 211.6
[M+Na-2H]- 347.17593 184.3
[M]+ 326.20071 189.8
[M]- 326.20181 189.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.