CID 7238

2-chlorotoluene

Structural Information

Molecular Formula
C7H7Cl
SMILES
CC1=CC=CC=C1Cl
InChI
InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChIKey
IBSQPLPBRSHTTG-UHFFFAOYSA-N
Compound name
1-chloro-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

41
References

47138
Patents

126.02363 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.03091 119.5
[M+Na]+ 149.01285 129.6
[M-H]- 125.01635 123.6
[M+NH4]+ 144.05745 143.0
[M+K]+ 164.98679 126.3
[M+H-H2O]+ 109.02089 115.7
[M+HCOO]- 171.02183 140.2
[M+CH3COO]- 185.03748 170.5
[M+Na-2H]- 146.99830 128.0
[M]+ 126.02308 121.1
[M]- 126.02418 121.1
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