CID 7931

3-chlorotoluene

Structural Information

Molecular Formula
C7H7Cl
SMILES
CC1=CC(=CC=C1)Cl
InChI
InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey
OSOUNOBYRMOXQQ-UHFFFAOYSA-N
Compound name
1-chloro-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

20
References

16539
Patents

126.02363 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.03091 119.8
[M+Na]+ 149.01285 135.5
[M+NH4]+ 144.05745 130.8
[M+K]+ 164.98679 127.3
[M-H]- 125.01635 123.5
[M+Na-2H]- 146.99830 129.3
[M]+ 126.02308 123.6
[M]- 126.02418 123.6
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