CID 10702658

1039985-85-7

Structural Information

Molecular Formula
C9H13ClN2
SMILES
CC(C)NC1=C(C=CC=C1Cl)N
InChI
InChI=1S/C9H13ClN2/c1-6(2)12-9-7(10)4-3-5-8(9)11/h3-6,12H,11H2,1-2H3
InChIKey
YIILUJIILCYFNQ-UHFFFAOYSA-N
Compound name
3-chloro-2-N-propan-2-ylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07672 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08400 139.8
[M+Na]+ 207.06594 147.9
[M-H]- 183.06944 143.2
[M+NH4]+ 202.11054 160.1
[M+K]+ 223.03988 144.0
[M+H-H2O]+ 167.07398 134.9
[M+HCOO]- 229.07492 160.2
[M+CH3COO]- 243.09057 187.4
[M+Na-2H]- 205.05139 144.2
[M]+ 184.07617 139.3
[M]- 184.07727 139.3
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

No patent data available for this compound.