CID 83854699

1,1-difluoro-3-isocyanatocyclobutane

Structural Information

Molecular Formula
C5H5F2NO
SMILES
C1C(CC1(F)F)N=C=O
InChI
InChI=1S/C5H5F2NO/c6-5(7)1-4(2-5)8-3-9/h4H,1-2H2
InChIKey
KNGUWKBLWSRYCV-UHFFFAOYSA-N
Compound name
1,1-difluoro-3-isocyanatocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

133.03392 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.04120 120.0
[M+Na]+ 156.02314 127.9
[M-H]- 132.02664 123.0
[M+NH4]+ 151.06774 137.8
[M+K]+ 171.99708 130.2
[M+H-H2O]+ 116.03118 109.5
[M+HCOO]- 178.03212 143.4
[M+CH3COO]- 192.04777 178.7
[M+Na-2H]- 154.00859 127.3
[M]+ 133.03337 126.0
[M]- 133.03447 126.0
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