CID 115016382

2378501-41-6

Structural Information

Molecular Formula
C10H11F2N
SMILES
C1C(CC1(F)F)C2=CC(=CC=C2)N
InChI
InChI=1S/C10H11F2N/c11-10(12)5-8(6-10)7-2-1-3-9(13)4-7/h1-4,8H,5-6,13H2
InChIKey
ZQTOCWSUSGROQA-UHFFFAOYSA-N
Compound name
3-(3,3-difluorocyclobutyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08595 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09323 137.1
[M+Na]+ 206.07517 144.7
[M-H]- 182.07867 141.3
[M+NH4]+ 201.11977 152.2
[M+K]+ 222.04911 144.4
[M+H-H2O]+ 166.08321 125.1
[M+HCOO]- 228.08415 157.9
[M+CH3COO]- 242.09980 187.1
[M+Na-2H]- 204.06062 141.9
[M]+ 183.08540 140.3
[M]- 183.08650 140.3
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

No patent data available for this compound.