CID 58885093

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

169.06583 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.073106 134.6
[M+Na]+ 192.055048 143.7
[M-H]- 168.058554 138.2
[M+NH4]+ 187.099653 156.0
[M+K]+ 208.028988 139.8
[M+H-H2O]+ 152.063090 130.3
[M+HCOO]- 214.064031 154.0
[M+CH3COO]- 228.079681 182.4
[M+Na-2H]- 190.040496 138.9
[M]+ 169.06528142 134.9
[M]- 169.06637858 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