CID 75481033

5-(difluoromethyl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C3H3F2N3O
SMILES
C1(=NN=C(O1)N)C(F)F
InChI
InChI=1S/C3H3F2N3O/c4-1(5)2-7-8-3(6)9-2/h1H,(H2,6,8)
InChIKey
HUTOZEAHMLMCRX-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

135.02441 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.03169 119.4
[M+Na]+ 158.01363 129.2
[M-H]- 134.01713 118.6
[M+NH4]+ 153.05823 138.5
[M+K]+ 173.98757 129.3
[M+H-H2O]+ 118.02167 111.0
[M+HCOO]- 180.02261 140.6
[M+CH3COO]- 194.03826 172.2
[M+Na-2H]- 155.99908 125.4
[M]+ 135.02386 116.6
[M]- 135.02496 116.6
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