CID 71475145

Diastase

Structural Information

Molecular Formula
C11H10FNO
SMILES
C=C=CCNC(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C11H10FNO/c1-2-3-8-13-11(14)9-4-6-10(12)7-5-9/h3-7H,1,8H2,(H,13,14)
InChIKey
YMXBQIIPWIMAQE-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

18304
References

0
Patents

191.07465 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08193 139.6
[M+Na]+ 214.06387 147.0
[M-H]- 190.06737 141.9
[M+NH4]+ 209.10847 158.9
[M+K]+ 230.03781 143.3
[M+H-H2O]+ 174.07191 132.7
[M+HCOO]- 236.07285 163.3
[M+CH3COO]- 250.08850 184.9
[M+Na-2H]- 212.04932 144.5
[M]+ 191.07410 137.2
[M]- 191.07520 137.2
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.