CID 119031882

1803582-38-8

Structural Information

Molecular Formula
C7H11F2N
SMILES
CC12CCNCC1C2(F)F
InChI
InChI=1S/C7H11F2N/c1-6-2-3-10-4-5(6)7(6,8)9/h5,10H,2-4H2,1H3
InChIKey
MRRJNXMDOXBSNV-UHFFFAOYSA-N
Compound name
7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.08595 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.09323 130.9
[M+Na]+ 170.07517 141.1
[M-H]- 146.07867 131.3
[M+NH4]+ 165.11977 150.2
[M+K]+ 186.04911 138.9
[M+H-H2O]+ 130.08321 124.7
[M+HCOO]- 192.08415 146.3
[M+CH3COO]- 206.09980 176.1
[M+Na-2H]- 168.06062 138.5
[M]+ 147.08540 127.3
[M]- 147.08650 127.3
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.