CID 1512515

109671-52-5

Structural Information

Molecular Formula
C7H9ClN2
SMILES
CC1=CC(=CC(=C1N)N)Cl
InChI
InChI=1S/C7H9ClN2/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,9-10H2,1H3
InChIKey
JCNVBPMFGXBWOI-UHFFFAOYSA-N
Compound name
5-chloro-3-methylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

156.04543 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.052706 130.6
[M+Na]+ 179.034648 140.8
[M-H]- 155.038154 134.2
[M+NH4]+ 174.079253 152.2
[M+K]+ 195.008588 136.5
[M+H-H2O]+ 139.042690 126.4
[M+HCOO]- 201.043631 152.0
[M+CH3COO]- 215.059281 181.0
[M+Na-2H]- 177.020096 135.5
[M]+ 156.04488142 129.4
[M]- 156.04597858 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