CID 3330

370-86-5

Structural Information

Molecular Formula
C10H5F3N4O
SMILES
C1=CC(=CC=C1NN=C(C#N)C#N)OC(F)(F)F
InChI
InChI=1S/C10H5F3N4O/c11-10(12,13)18-9-3-1-7(2-4-9)16-17-8(5-14)6-15/h1-4,16H
InChIKey
BMZRVOVNUMQTIN-UHFFFAOYSA-N
Compound name
2-[[4-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1656
References

7248
Patents

254.04155 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.04883 160.6
[M+Na]+ 277.03077 168.7
[M-H]- 253.03427 161.5
[M+NH4]+ 272.07537 171.1
[M+K]+ 293.00471 166.6
[M+H-H2O]+ 237.03881 143.0
[M+HCOO]- 299.03975 172.1
[M+CH3COO]- 313.05540 226.0
[M+Na-2H]- 275.01622 162.4
[M]+ 254.04100 149.7
[M]- 254.04210 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe