CID 68788896

3-chloro-5-(propan-2-yl)aniline

Structural Information

Molecular Formula
C9H12ClN
SMILES
CC(C)C1=CC(=CC(=C1)Cl)N
InChI
InChI=1S/C9H12ClN/c1-6(2)7-3-8(10)5-9(11)4-7/h3-6H,11H2,1-2H3
InChIKey
YIFYWIAARRIPEY-UHFFFAOYSA-N
Compound name
3-chloro-5-propan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

169.06583 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07311 134.6
[M+Na]+ 192.05505 143.7
[M-H]- 168.05855 138.2
[M+NH4]+ 187.09965 156.0
[M+K]+ 208.02899 139.8
[M+H-H2O]+ 152.06309 130.3
[M+HCOO]- 214.06403 154.0
[M+CH3COO]- 228.07968 182.4
[M+Na-2H]- 190.04050 138.9
[M]+ 169.06528 134.9
[M]- 169.06638 134.9
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