CID 20030114

4-(2,2-difluoro-1-methylcyclopropyl)aniline

Structural Information

Molecular Formula
C10H11F2N
SMILES
CC1(CC1(F)F)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H11F2N/c1-9(6-10(9,11)12)7-2-4-8(13)5-3-7/h2-5H,6,13H2,1H3
InChIKey
LMBZXKLSBLPQIF-UHFFFAOYSA-N
Compound name
4-(2,2-difluoro-1-methylcyclopropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

183.08595 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.093226 130.7
[M+Na]+ 206.075168 142.1
[M-H]- 182.078674 136.4
[M+NH4]+ 201.119773 149.5
[M+K]+ 222.049108 139.7
[M+H-H2O]+ 166.083210 124.7
[M+HCOO]- 228.084151 153.2
[M+CH3COO]- 242.099801 187.1
[M+Na-2H]- 204.060616 138.1
[M]+ 183.08540142 130.0
[M]- 183.08649858 130.0
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