CID 6335057

Nsc676928

Structural Information

Molecular Formula
C10H10BF3N4O
SMILES
[B](C#N)[N+]1=CC=C(C=C1)C(=O)NNC(C)C(F)(F)F
InChI
InChI=1S/C10H9BF3N4O/c1-7(10(12,13)14)16-17-9(19)8-2-4-18(5-3-8)11-6-15/h2-5,7,19H,1H3/p+1
InChIKey
WDUKKPLLAAWHFC-UHFFFAOYSA-O
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.08997 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09725 155.4
[M+Na]+ 293.07919 162.5
[M-H]- 269.08269 153.2
[M+NH4]+ 288.12379 167.4
[M+K]+ 309.05313 155.3
[M+H-H2O]+ 253.08723 141.6
[M+HCOO]- 315.08817 170.1
[M+CH3COO]- 329.10382 205.3
[M+Na-2H]- 291.06464 160.8
[M]+ 270.08942 144.2
[M]- 270.09052 144.2
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.