CID 23131917

3-chloro-5-methylbenzene-1,2-diamine

Structural Information

Molecular Formula
C7H9ClN2
SMILES
CC1=CC(=C(C(=C1)Cl)N)N
InChI
InChI=1S/C7H9ClN2/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,9-10H2,1H3
InChIKey
UPFHQANNMQQOJI-UHFFFAOYSA-N
Compound name
3-chloro-5-methylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

156.04543 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05271 130.6
[M+Na]+ 179.03465 140.8
[M-H]- 155.03815 134.2
[M+NH4]+ 174.07925 152.2
[M+K]+ 195.00859 136.5
[M+H-H2O]+ 139.04269 126.4
[M+HCOO]- 201.04363 152.0
[M+CH3COO]- 215.05928 181.0
[M+Na-2H]- 177.02010 135.5
[M]+ 156.04488 129.4
[M]- 156.04598 129.4
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

patents stripe