CID 7503

Benzyl chloride

Structural Information

Molecular Formula
C7H7Cl
SMILES
C1=CC=C(C=C1)CCl
InChI
InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
KCXMKQUNVWSEMD-UHFFFAOYSA-N
Compound name
chloromethylbenzene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

287
References

138594
Patents

126.02363 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.03091 120.3
[M+Na]+ 149.01285 129.4
[M-H]- 125.01635 124.0
[M+NH4]+ 144.05745 143.4
[M+K]+ 164.98679 126.1
[M+H-H2O]+ 109.02089 116.1
[M+HCOO]- 171.02183 141.0
[M+CH3COO]- 185.03748 169.4
[M+Na-2H]- 146.99830 129.4
[M]+ 126.02308 121.4
[M]- 126.02418 121.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe