CID 154779867

4-chloro-3-(difluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula
C4H3ClF2N2
SMILES
C1=NNC(=C1Cl)C(F)F
InChI
InChI=1S/C4H3ClF2N2/c5-2-1-8-9-3(2)4(6)7/h1,4H,(H,8,9)
InChIKey
HATISBHUEZDBQA-UHFFFAOYSA-N
Compound name
4-chloro-5-(difluoromethyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.99529 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.00257 121.7
[M+Na]+ 174.98451 132.1
[M-H]- 150.98801 118.9
[M+NH4]+ 170.02911 142.1
[M+K]+ 190.95845 128.4
[M+H-H2O]+ 134.99255 114.3
[M+HCOO]- 196.99349 136.7
[M+CH3COO]- 211.00914 170.4
[M+Na-2H]- 172.96996 126.2
[M]+ 151.99474 118.8
[M]- 151.99584 118.8
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.