CID 33788911

2-chloro-4-fluoro-n-(propan-2-yl)aniline

Structural Information

Molecular Formula
C9H11ClFN
SMILES
CC(C)NC1=C(C=C(C=C1)F)Cl
InChI
InChI=1S/C9H11ClFN/c1-6(2)12-9-4-3-7(11)5-8(9)10/h3-6,12H,1-2H3
InChIKey
HJLMLHVQHAIPQS-UHFFFAOYSA-N
Compound name
2-chloro-4-fluoro-N-propan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

187.05641 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.063686 136.3
[M+Na]+ 210.045628 145.3
[M-H]- 186.049134 138.9
[M+NH4]+ 205.090233 157.1
[M+K]+ 226.019568 141.4
[M+H-H2O]+ 170.053670 130.8
[M+HCOO]- 232.054611 155.3
[M+CH3COO]- 246.070261 185.8
[M+Na-2H]- 208.031076 141.1
[M]+ 187.05586142 136.5
[M]- 187.05695858 136.5
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