CID 118168027

5-(difluoromethyl)-2h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C2H2F2N4
SMILES
C1(=NNN=N1)C(F)F
InChI
InChI=1S/C2H2F2N4/c3-1(4)2-5-7-8-6-2/h1H,(H,5,6,7,8)
InChIKey
YSUSOIHFLCQBLT-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

120.02475 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.03203 116.6
[M+Na]+ 143.01397 126.3
[M-H]- 119.01747 111.2
[M+NH4]+ 138.05857 134.4
[M+K]+ 158.98791 124.8
[M+H-H2O]+ 103.02201 107.0
[M+HCOO]- 165.02295 134.2
[M+CH3COO]- 179.03860 165.4
[M+Na-2H]- 140.99942 123.1
[M]+ 120.02420 112.0
[M]- 120.02530 112.0
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