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]+ 184.09323 130.7
[M+Na]+ 206.07517 142.1
[M-H]- 182.07867 136.4
[M+NH4]+ 201.11977 149.5
[M+K]+ 222.04911 139.7
[M+H-H2O]+ 166.08321 124.7
[M+HCOO]- 228.08415 153.2
[M+CH3COO]- 242.09980 187.1
[M+Na-2H]- 204.06062 138.1
[M]+ 183.08540 130.0
[M]- 183.08650 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