CID 4487545

2,2''-bis-bromomethyl-6,6''-dimethyl-(1,1',3',1'')terphenyl

Structural Information

Molecular Formula
C22H20Br2
SMILES
CC1=C(C(=CC=C1)CBr)C2=CC(=CC=C2)C3=C(C=CC=C3CBr)C
InChI
InChI=1S/C22H20Br2/c1-15-6-3-10-19(13-23)21(15)17-8-5-9-18(12-17)22-16(2)7-4-11-20(22)14-24/h3-12H,13-14H2,1-2H3
InChIKey
TXEWSVZSYPGDGK-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2-[3-[2-(bromomethyl)-6-methylphenyl]phenyl]-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.9932 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.00048 181.9
[M+Na]+ 464.98242 191.5
[M-H]- 440.98592 193.0
[M+NH4]+ 460.02702 196.5
[M+K]+ 480.95636 175.4
[M+H-H2O]+ 424.99046 188.6
[M+HCOO]- 486.99140 196.8
[M+CH3COO]- 501.00705 193.8
[M+Na-2H]- 462.96787 184.8
[M]+ 441.99265 216.4
[M]- 441.99375 216.4
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.