CID 14385712

1-(butan-2-yl)-2-(chloromethyl)benzene

Structural Information

Molecular Formula
C11H15Cl
SMILES
CCC(C)C1=CC=CC=C1CCl
InChI
InChI=1S/C11H15Cl/c1-3-9(2)11-7-5-4-6-10(11)8-12/h4-7,9H,3,8H2,1-2H3
InChIKey
OHYZRAIGKHBACU-UHFFFAOYSA-N
Compound name
1-butan-2-yl-2-(chloromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.08623 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.093506 138.6
[M+Na]+ 205.075448 146.7
[M-H]- 181.078954 142.0
[M+NH4]+ 200.120053 159.8
[M+K]+ 221.049388 142.7
[M+H-H2O]+ 165.083490 133.9
[M+HCOO]- 227.084431 156.9
[M+CH3COO]- 241.100081 183.3
[M+Na-2H]- 203.060896 143.5
[M]+ 182.08568142 141.0
[M]- 182.08677858 141.0
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.